Geometry & MOs

Info

ID:	135914
PubChem CID:	51957039
Reduced:	ClFSN2O3H15C17 (1)
Stoich.:	ABCD2E3F15G17 (1)
Weight, g/mol:	434.057745
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	10.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.143567
Charge, e:	-1

Chem-info

IUPAC name:

[4-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylimino]cyclohexa-2,4-dien-1-ylidene]-pyrrolidin-1-ylmethanolate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=C2C=CC(=CC2=NS(=O)(=O)C3=CC=CC=C3F)Cl)[O-]

DOS

IR

Vibrations